Valine (data page)

The complete data for Valine

General information

Chemical formula: C₅H₁₁N O₂
Molar mass: 117.15 g·mol⁻¹
Systematic name:
(S)-2-amino-3-methyl-butanoic acid
Abbreviations: V, Val
Synonyms:
none

Database data

SMILES: CC(C)C(N)C(=O)O
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/f/h7H

ATC: N/A

CAS: 72-18-4

DrugBank: N/A

EINECS:
200-773-6 ^a

PubChem: 71563 (D)^a, 1182 (L)^a

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

NMR

MS
- Masses of main fragments:
GMD MS Spectrum

Phase behavior

Solid properties

ρ_solid: 1.230 g.cm⁻³
T_m: 315 °C

Liquid properties

Gas properties

Hazard properties

MSDS N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

R/S statement

R: N/A
S: N/A

RTECS number:
N/A

Chemical properties

XLogP: -2.193

pI: 5.96

pK_a: 2.27, 9.52

Tautomers:

Hydrogen bond: donor - 2; acceptor - 3

Pharmacological properties

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

^a 200-773-6 EINECS for Valine
^a CID 71563 from PubChem
^a CID 1182 from PubChem

The encoded amino acid

General topics

By properties

Aliphatic	Branched-chain amino acids (Valine Isoleucine Leucine) Methionine Alanine Proline Glycine

Aromatic	Phenylalanine Tyrosine Tryptophan Histidine

Polar, uncharged	Asparagine Glutamine Serine Threonine

Positive charge (pK_a)	Lysine (≈10.8) Arginine (≈12.5) Histidine (≈6.1)

Negative charge (pK_a)	Aspartic acid (≈3.9) Glutamic acid (≈4.1) Cysteine (≈8.3) Tyrosine (≈10.1)

Other classifications

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